CID 444965

Db01983

Structural Information

Molecular Formula
C6H15BNO5
SMILES
[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O
InChI
InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1
InChIKey
BLVGFZFOWWBCCZ-YFKPBYRVSA-N
Compound name
[(5S)-5-amino-5-carboxypentyl]-trihydroxyboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.10432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.11160 140.2
[M+Na]+ 215.09354 143.9
[M-H]- 191.09704 132.4
[M+NH4]+ 210.13814 155.3
[M+K]+ 231.06748 142.6
[M+H-H2O]+ 175.10158 138.0
[M+HCOO]- 237.10252 155.2
[M+CH3COO]- 251.11817 171.6
[M+Na-2H]- 213.07899 141.5
[M]+ 192.10377 134.5
[M]- 192.10487 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.